CID 3068499

Benzene, 2-(4-bromophenoxy)-4-((2-(4-ethoxyphenyl)-2-methylprpoxy)methyl)-1-fluoro-

Structural Information

Molecular Formula
C25H26BrFO3
SMILES
CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=C(C=C2)F)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C25H26BrFO3/c1-4-29-21-10-6-19(7-11-21)25(2,3)17-28-16-18-5-14-23(27)24(15-18)30-22-12-8-20(26)9-13-22/h5-15H,4,16-17H2,1-3H3
InChIKey
ZEEGKOJRDIONKV-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

472.10495 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.11223 208.9
[M+Na]+ 495.09417 214.1
[M+NH4]+ 490.13877 212.3
[M+K]+ 511.06811 210.8
[M-H]- 471.09767 211.9
[M+Na-2H]- 493.07962 214.0
[M]+ 472.10440 209.6
[M]- 472.10550 209.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe